SCHEMBL7008518

SCHEMBL7008518

COCCCn1cc(Cc2cncnc2)c(=O)[nH]c1=S

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 12/20 0.44
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
UPP1 Q16831 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7009612 0.93 PLA2G7 (0.50) PLA2G7CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7005649 0.85 PLA2G7 (0.49) PLA2G7CYP1A2CYP2C9CYP2C19
SCHEMBL7006453 0.85 PLA2G7 (0.49) PLA2G7CYP1A2CYP2C9CYP2C19
SCHEMBL7005777 0.84 PLA2G7 (0.38) PLA2G7UPP1
SCHEMBL7011487 0.84 PLA2G7 (0.36) PLA2G7ALDH1A1
SCHEMBL7004509 0.82 PLA2G7 (0.38) PLA2G7UPP1
SCHEMBL7005535 0.82 UPP1 (0.38) PLA2G7UPP1
SCHEMBL7013475 0.81 PLA2G7 (0.39) PLA2G7UPP1
SCHEMBL7006492 0.81 TNF (0.40) PLA2G7
SCHEMBL7004030 0.81 PLA2G7 (0.57) PLA2G7KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C PLA2G7 1/4885L3MBTL1 4529/4885CYP1A2 1351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.